Glycoside
GD023906
Name:
LEUCASPEROSIDE BFormula:
C32H50O12Smiles:
C=C[C@@]1(C)C=C2C(=O)C[C@@H]3C(C)(C)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@H]2CC1Aglycone:
C=CC1(C)C=C2C(=O)CC3C(C)(C)C(O)CCC3(C)C2CC1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.84 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 626.74 | Num_heavy_atoms: | 44 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD05464
Formula: C20H30O2
Smiles:
C=CC1(C)C=C2C(=O)CC3C(C)(C)C(O)CCC3(C)C2CC1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.46 | Num_heavy_atoms: | 22 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
